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{
"id": "jvasp-45324",
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"updated_at": "2022-09-04T14:37:06.509756Z",
"structure_string": "Ca8 Pt2 O12\n1.0\n6.582683 -0.003353 -0.066950\n-0.067600 6.582336 -0.066950\n-0.003320 -0.003353 6.583022\nCa Pt O\n8 2 12\ndirect\n0.750000 0.750001 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.613625 0.886376 0.250000 Ca\n0.250000 0.613626 0.886374 Ca\n0.886374 0.250001 0.613625 Ca\n0.386375 0.113626 0.750000 Ca\n0.750000 0.386375 0.113625 Ca\n0.113625 0.750001 0.386375 Ca\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500001 0.500000 Pt\n0.928618 0.701351 0.054052 O\n0.201350 0.428618 0.554052 O\n0.445947 0.798651 0.571382 O\n0.571382 0.445948 0.798650 O\n0.798650 0.571383 0.445947 O\n0.298650 0.945948 0.071382 O\n0.071382 0.298651 0.945947 O\n0.945947 0.071383 0.298650 O\n0.554052 0.201351 0.428618 O\n0.428618 0.554053 0.201350 O\n0.054052 0.928619 0.701350 O\n0.701350 0.054053 0.928618 O\n",
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{
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"structure_string": "Mg2 Ni2 F8\n1.0\n-4.918183 -0.000452 -0.004582\n0.000492 -4.918151 -0.008727\n2.454080 2.449554 5.425644\nMg Ni F\n2 2 8\ndirect\n0.787527 0.787999 0.575663 Mg\n0.210832 0.211298 0.422329 Mg\n0.954943 0.455464 0.910586 Ni\n0.543363 0.043882 0.087402 Ni\n0.580523 0.515273 0.650031 F\n0.892751 0.828257 0.155606 F\n0.262159 0.327661 0.155603 F\n0.483616 0.930017 0.347959 F\n0.068833 0.135138 0.650053 F\n0.170541 0.736672 0.842410 F\n0.671126 0.106100 0.842383 F\n0.863702 0.418250 0.347952 F\n",
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{
"id": "jvasp-19055",
"created_at": "2022-09-04T14:37:06.390326Z",
"updated_at": "2022-09-04T14:37:06.390362Z",
"structure_string": "Ba5 Nb4 O15\n1.0\n2.936379 -5.085957 0.000000\n2.936379 5.085957 -0.000000\n-0.000000 0.000000 11.923318\nBa Nb O\n5 4 15\ndirect\n0.666667 0.333333 0.428250 Ba\n0.333333 0.666667 0.571750 Ba\n0.666667 0.333333 0.790821 Ba\n0.333333 0.666667 0.209179 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.105286 Nb\n0.333333 0.666667 0.894714 Nb\n0.000000 0.000000 0.682195 Nb\n0.000000 0.000000 0.317805 Nb\n0.168669 0.337337 0.807199 O\n0.500000 -0.000000 0.000000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.337337 0.168669 0.192801 O\n0.831332 0.168669 0.192801 O\n0.329529 0.164765 0.611288 O\n0.164765 0.329529 0.388712 O\n0.164765 0.835236 0.388712 O\n0.670471 0.835236 0.388712 O\n0.168669 0.831332 0.807199 O\n0.835236 0.164765 0.611288 O\n0.835236 0.670471 0.611288 O\n0.831332 0.662663 0.192801 O\n0.662663 0.831332 0.807199 O\n",
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{
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"updated_at": "2022-09-04T14:37:06.401121Z",
"structure_string": "Nd1 Co1 O3\n1.0\n3.792821 -0.000000 -0.000000\n0.000000 3.792821 -0.000000\n0.000000 0.000000 3.792821\nNd Co O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "jvasp-13397",
"created_at": "2022-09-04T14:37:06.404902Z",
"updated_at": "2022-09-04T14:37:06.404928Z",
"structure_string": "K4 In4 Br12\n1.0\n4.253700 -7.367624 0.000000\n4.253700 7.367624 0.000000\n0.000000 -0.000000 10.796545\nK In Br\n4 4 12\ndirect\n0.333333 0.666667 0.130003 K\n0.666667 0.333333 0.869998 K\n0.000000 0.000000 0.739282 K\n0.000000 0.000000 0.260718 K\n0.333333 0.666667 0.759123 In\n0.666667 0.333333 0.240877 In\n0.333333 0.666667 0.504026 In\n0.666667 0.333333 0.495975 In\n0.914493 0.612202 0.624428 Br\n0.612202 0.697708 0.375572 Br\n0.302292 0.914493 0.375572 Br\n0.085507 0.387798 0.375572 Br\n0.906122 0.620671 0.117012 Br\n0.620671 0.714549 0.882989 Br\n0.714549 0.093878 0.117012 Br\n0.093877 0.379329 0.882989 Br\n0.697708 0.085507 0.624428 Br\n0.285451 0.906122 0.882989 Br\n0.379329 0.285451 0.117012 Br\n0.387798 0.302291 0.624428 Br\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.863547867523386,
"density_atomic": 0.029554314437331086,
"volume": 676.7201466442173,
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"formula_full": "K4 In4 Br12",
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{
"id": "jvasp-79718",
"created_at": "2022-09-04T14:37:06.405662Z",
"updated_at": "2022-09-04T14:37:06.405687Z",
"structure_string": "Li2 Sn1 Bi1\n1.0\n-9.349707 0.000000 -5.398056\n-6.277303 -0.550559 0.076497\n-4.949467 3.205128 -2.223383\nLi Sn Bi\n2 1 1\ndirect\n0.750084 -0.000000 -0.000000 Li\n0.249917 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 -0.000000 Bi\n",
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{
"id": "jvasp-50197",
"created_at": "2022-09-04T14:37:06.409260Z",
"updated_at": "2022-09-04T14:37:06.409280Z",
"structure_string": "Ga2 Bi2 O6\n1.0\n-5.607771 0.142641 0.098483\n-0.000000 -3.168998 4.589891\n-2.648944 1.739437 4.589891\nGa Bi O\n2 2 6\ndirect\n0.466842 0.488948 0.022106 Ga\n0.966842 0.988948 0.022105 Ga\n0.647154 0.215718 0.568563 Bi\n0.147154 0.715718 0.568563 Bi\n0.768228 0.273182 0.911217 O\n0.768229 0.815600 0.504951 O\n0.768230 0.679447 0.047370 O\n0.268228 0.315599 0.911218 O\n0.268229 0.179446 0.504952 O\n0.268229 0.773183 0.047370 O\n",
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{
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"updated_at": "2022-09-04T14:37:06.415557Z",
"structure_string": "Sr8 Hf4 O16\n1.0\n5.826187 0.000000 0.000000\n0.000000 5.827043 0.000000\n0.000000 0.000000 12.640673\nSr Hf O\n8 4 16\ndirect\n0.987300 0.987276 0.648265 Sr\n0.512701 0.987276 0.148265 Sr\n0.987300 0.512723 0.148265 Sr\n0.512701 0.512723 0.648265 Sr\n0.487299 0.487277 0.351735 Sr\n0.012701 0.487277 0.851735 Sr\n0.487299 0.012723 0.851735 Sr\n0.012701 0.012723 0.351735 Sr\n0.000000 0.500000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.025583 O\n0.750000 0.250000 0.000087 O\n0.250000 0.250000 0.525583 O\n0.750000 0.250000 0.500086 O\n0.042603 0.457148 0.336530 O\n0.457397 0.457148 0.836530 O\n0.957397 0.542851 0.663470 O\n0.957397 0.957148 0.163470 O\n0.250000 0.750000 0.499913 O\n0.250000 0.750000 0.999913 O\n0.750000 0.750000 0.474417 O\n0.750000 0.750000 0.974416 O\n0.042603 0.042852 0.836530 O\n0.542603 0.957148 0.663470 O\n0.542603 0.542851 0.163470 O\n0.457397 0.042852 0.336530 O\n",
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"updated_at": "2022-09-04T14:37:06.420152Z",
"structure_string": "Dy1 Tl1 Se2\n1.0\n4.016978 -0.001674 7.021899\n1.865282 3.557646 7.021899\n-0.002770 -0.001674 8.089694\nDy Tl Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.499999 0.500002 0.499999 Tl\n0.735060 0.735064 0.735059 Se\n0.264939 0.264940 0.264939 Se\n",
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"structure_string": "Ba8 Pt2 O12\n1.0\n7.332246 0.010515 0.054463\n0.054137 7.332053 0.054463\n0.010578 0.010515 7.332440\nBa Pt O\n8 2 12\ndirect\n0.617595 0.882406 0.249999 Ba\n0.250001 0.617594 0.882406 Ba\n0.882407 0.250001 0.617594 Ba\n0.382406 0.117595 0.750000 Ba\n0.750001 0.382406 0.117594 Ba\n0.117594 0.750000 0.382406 Ba\n0.750001 0.750001 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500001 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.073334 0.272457 0.938473 O\n0.772458 0.573335 0.438473 O\n0.561527 0.227544 0.426666 O\n0.426667 0.561527 0.227543 O\n0.227544 0.426666 0.561527 O\n0.727544 0.061528 0.926666 O\n0.926667 0.727543 0.061526 O\n0.061527 0.926666 0.727543 O\n0.438474 0.772457 0.573334 O\n0.573335 0.438474 0.772457 O\n0.938474 0.073335 0.272457 O\n0.272457 0.938473 0.073334 O\n",
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{
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"created_at": "2022-09-04T14:37:06.432983Z",
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}